| Author | Search for: Helander, A.; Search for: Kenne, L.; Search for: Oscarson, S.; Search for: Peters, T.; Search for: Brisson, J. |
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| Format | Text, Article |
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| Subject | analogs & derivatives; Carbohydrate Conformation; Carbohydrate Sequence; chemical; chemical shift; chemical synthesis; chemistry; Computer Simulation; CONFORMATIONAL; DIFFERENCE; Distance; GESA; GLOBAL; glycopeptide; Glycopeptides; glycoprotein; Glycoproteins; Indicators and Reagents; Magnetic Resonance Spectroscopy; Mannose; Mannosides; MODEL; Models,Molecular; Molecular Sequence Data; Molecular Structure; MONTE CARLO; NMR; NOE; PROGRAM; REGION; Serine; SIGNALS; Simulation; SIMULATIONS; Support,Non-U.S.Gov't; Synthesis; theoretical; Threonine; yield |
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| Abstract | alpha-D-Mannopyranosyl and alpha-D-mannopyranosyl-(1----2)-alpha-D- mannopyranosyl linked to L-serine and L-threonine have been synthesised as model substances for the linkage region in certain O-linked glycoproteins. Metropolis Monte Carlo simulations were performed with a modified version of the GESA program, to yield theoretical NOEs and interatomic distances as ensemble-average values, and these were compared with results from steady-state NOE experiments. The NOEs were determined as ensemble-average and as global minimum values. NMR chemical shift differences, obtained for signals of the glycopeptides relative to those of the respective monomers, were interpreted in terms of short inter-residue atomic distances as found within the global minima, and on the basis of averaged distances derived from Monte Carlo simulations |
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| Publication date | 1992-06-16 |
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| In | |
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| Language | English |
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| NRC number | HELANDER1992 |
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| NPARC number | 9377435 |
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| Export citation | Export as RIS |
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| Report a correction | Report a correction (opens in a new tab) |
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| Record identifier | 00484312-689c-4589-9ffa-da1825e43375 |
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| Record created | 2009-07-10 |
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| Record modified | 2020-04-24 |
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